1-ethyl-4-(2-propyl-1,2,4-triazol-3-yl)piperidin-4-ol

C12H22N4O — CID 112744378

IUPAC1-ethyl-4-(2-propyl-1,2,4-triazol-3-yl)piperidin-4-ol
SMILESCCCn1ncnc1C1(O)CCN(CC)CC1
InChIInChI=1S/C12H22N4O/c1-3-7-16-11(13-10-14-16)12(17)5-8-15(4-2)9-6-12/h10,17H,3-9H2,1-2H3
InChIKeyLEMRGNOLJXQVPS-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.99
Rot. Bonds4

About 1-ethyl-4-(2-propyl-1,2,4-triazol-3-yl)piperidin-4-ol

1-ethyl-4-(2-propyl-1,2,4-triazol-3-yl)piperidin-4-ol (PubChem CID 112744378) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-ethyl-4-(2-propyl-1,2,4-triazol-3-yl)piperidin-4-ol.

Molecular Properties

Compound Name1-ethyl-4-(2-propyl-1,2,4-triazol-3-yl)piperidin-4-ol
PubChem CID112744378
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name1-ethyl-4-(2-propyl-1,2,4-triazol-3-yl)piperidin-4-ol
SMILESCCCn1ncnc1C1(O)CCN(CC)CC1
InChIInChI=1S/C12H22N4O/c1-3-7-16-11(13-10-14-16)12(17)5-8-15(4-2)9-6-12/h10,17H,3-9H2,1-2H3
InChIKeyLEMRGNOLJXQVPS-UHFFFAOYSA-N
XLogP0.99
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1-methyl-1H-1,2,4-triazol-5-yl)piperidin-4-ol dihydrochloride
CID 126809505
2-Methyl-1-[4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]butan-2-ol
CID 121533264
4-(2-Methyl-1,2,4-triazol-3-yl)-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-ol
CID 138008394
2-methyl-1-[5-[(2S)-1-piperidin-1-ylpropan-2-yl]-1,2,4-triazol-1-yl]propan-2-ol
CID 164634157
1-[(2S)-2-methylbutyl]-4-(2-methyl-1,2,4-triazol-3-yl)piperidin-4-ol
CID 164635226
(3S)-3-ethyl-1-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]piperidin-3-ol
CID 171359129
4-(1-Methyl-1H-1,2,4-triazol-5-yl)piperidin-4-ol
CID 126809506
3-[(4-Methyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-3-ol
CID 127018253
1-(but-2-yn-1-yl)-3-[(4-methyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-3-ol
CID 137884475
1-Propan-2-yl-4-(1,2,4-triazol-1-ylmethyl)piperidin-4-ol
CID 57829927
(2R)-2-(2-methyl-1,2,4-triazol-3-yl)hexan-2-ol
CID 70048125
3-[1-(2-Methylpropyl)-1,2,4-triazol-3-yl]pentan-3-ol
CID 71167280

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(2-propyl-1,2,4-triazol-3-yl)piperidin-4-ol?
The IUPAC name of 1-ethyl-4-(2-propyl-1,2,4-triazol-3-yl)piperidin-4-ol (CID 112744378) is 1-ethyl-4-(2-propyl-1,2,4-triazol-3-yl)piperidin-4-ol.
What is the SMILES notation for 1-ethyl-4-(2-propyl-1,2,4-triazol-3-yl)piperidin-4-ol?
The canonical SMILES for 1-ethyl-4-(2-propyl-1,2,4-triazol-3-yl)piperidin-4-ol is CCCn1ncnc1C1(O)CCN(CC)CC1.
What is the InChIKey of 1-ethyl-4-(2-propyl-1,2,4-triazol-3-yl)piperidin-4-ol?
The InChIKey is LEMRGNOLJXQVPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-3-7-16-11(13-10-14-16)12(17)5-8-15(4-2)9-6-12/h10,17H,3-9H2,1-2H3.
What are the key properties of 1-ethyl-4-(2-propyl-1,2,4-triazol-3-yl)piperidin-4-ol?
1-ethyl-4-(2-propyl-1,2,4-triazol-3-yl)piperidin-4-ol has a molecular weight of 238.33 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(2-propyl-1,2,4-triazol-3-yl)piperidin-4-ol is sourced from PubChem (CID 112744378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).